이름: 3-chlorocarbonyl-propionic acid ethyl ester
SMILES:
CCOC(=O)CCC(=O)ClMolecular Processing
Molecular formula
C6H9ClO3
Molecular weight
164.59
Exact mass
164.024
XLogP
1.1
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
36.73
Supplementary Information
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